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["Zhenhua Zeng" <myid520@163.com>]

Dear Prof. Xavier Gonze and Dr. Matthieu Verstraete,

I have the similar but different question.
My question is that can phonon DOS be projected to the particular atoms? just 
like projected electron DOS.

It seem meanningless for bulk calculation. But for slab calculation, It can 
show some surface phonon model by projecting to atoms.
For example, Felix Yndurain and  Manuel Perez Jigato found Localized Surface 
Phonons using Frozen-phonon method through analyzing dynamical matrix.
'First Principles Calculation of Localized Surface Phonons and 
Electron-Phonon Interaction at Pb(111) Thin Films' PRL 100,205501 (2008) see 
the link below.
http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRLTAO000100000020205501000001&idtype=cvips&gifs=yes

If The phonon dos can be projected to particular atoms, then it will be 
easier to identify this localized surface phonon model.

Best Wishes                      
Zhenhua Zeng

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From：Xavier Gonze
sent:：2008-11-30 19:49:37
To：forum@abinit.org
Subject：Re: [abinit-forum] projected Phonon DOS

>
>Dear Patrick Hillyard,
>
>On 02 Apr 2007, at 19:06, Patrick B. Hillyard wrote:
>
>> Dear Abinit users,
>>
>> I am interested in calculating a projected phonon Density of  
>> States.  In the Reponse Function, the capability exists to  
>> calculate both the total phonon DOS and also phonon dispersion  
>> curves.  I am interested in taking the phonon DOS (integrated over  
>> a fine mesh in the BZ) and projecting the displacement vectors onto  
>> a given reciprocal lattice vector.  Is this possible?
>
>Well, this is indeed possible, but I am afraid that you will have to  
>hack some subroutine
>of the ANADDB code, likely thm9.F90 , where the phonon DOS is  
>computed ...
>
>Good luck,
>Xavier
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>18:52
S
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